[5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] 1-methylimidazole-4-sulfonate

Systemtic Name: [5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] 1-methylimidazole-4-sulfonate Openeye Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] 1-methylimidazole-4-sulfonate CAS Name: 1-methyl-4-imidazolesulfonic acid [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methylphenyl] 1-methylimidazole-4-sulfonate Traditional Name: 1-methylimidazole-4-sulfonic acid [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-keto-2-methyl-3H-pyran-5-yl]thio]-2-methyl-phenyl] ester Formula: C29H34N2O7S2 MolecularWeight: 586.71946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C)CCC3=CC=C(C=C3)O)O)C(C)(C)C)OS(=O)(=O)C4=CN(C=N4)C

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C)CCC3=CC=C(C=C3)O)O)C(C)(C)C)OS(=O)(=O)C4=CN(C=N4)C

InChI

InChI=1S/C29H34N2O7S2/c1-18-13-24(21(28(2,3)4)14-23(18)38-40(35,36)25-16-31(6)17-30-25)39-26-22(33)15-29(5,37-27(26)34)12-11-19-7-9-20(32)10-8-19/h7-10,13-14,16-17,32,34H,11-12,15H2,1-6H3